2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid

C21H23N3O4 — CID 22740495

IUPAC2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid
SMILESCCN1CCC(n2c3cccc(OCC(=O)O)c3c3c(C(N)=O)cccc32)C1
InChIInChI=1S/C21H23N3O4/c1-2-23-10-9-13(11-23)24-15-6-3-5-14(21(22)27)19(15)20-16(24)7-4-8-17(20)28-12-18(25)26/h3-8,13H,2,9-12H2,1H3,(H2,22,27)(H,25,26)
InChIKeyIUHOOWKYBMSVAN-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.62
Rot. Bonds6

About 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid (PubChem CID 22740495) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid
PubChem CID22740495
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid
SMILESCCN1CCC(n2c3cccc(OCC(=O)O)c3c3c(C(N)=O)cccc32)C1
InChIInChI=1S/C21H23N3O4/c1-2-23-10-9-13(11-23)24-15-6-3-5-14(21(22)27)19(15)20-16(24)7-4-8-17(20)28-12-18(25)26/h3-8,13H,2,9-12H2,1H3,(H2,22,27)(H,25,26)
InChIKeyIUHOOWKYBMSVAN-UHFFFAOYSA-N
XLogP2.62
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid (CID 22740495) is 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid is CCN1CCC(n2c3cccc(OCC(=O)O)c3c3c(C(N)=O)cccc32)C1.
What is the InChIKey of 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid?
The InChIKey is IUHOOWKYBMSVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-23-10-9-13(11-23)24-15-6-3-5-14(21(22)27)19(15)20-16(24)7-4-8-17(20)28-12-18(25)26/h3-8,13H,2,9-12H2,1H3,(H2,22,27)(H,25,26).
What are the key properties of 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid has a molecular weight of 381.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-(1-ethylpyrrolidin-3-yl)carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 22740495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).